Information card for entry 1559905

Structure parameters

• Chemical name: 2-(2-pyridyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl
• Formula: C12 H16 N3 O2
• Calculated formula: C12 H16 N3 O2
• SMILES: c1cccc(C2=N(C(C)(C)C(C)(C)[N]2=O)=O)n1
• Title of publication: Unconventional field induced phases in a quantum magnet formed by free radical tetramers
• Authors of publication: Saùl, Andrès; Gauthier, Nicolas; Askari, Reza Moosavi; Côté, Michel; Maris, Thierry; Reber, Christian; Lannes, Anthony; Luneau, Dominique; Nicklas, Michael; Law, Joseph M.; Green, Elizabeth Lauren; Wosnitza, Jochen; Bianchi, Andrea Daniele; Feiguin, Adrian
• Journal of publication: Physical Review B
• Year of publication: 2018
• Journal volume: 97
• Pages of publication: 064414
• a: 6.1471 ± 0.0002 Å
• b: 30.0605 ± 0.001 Å
• c: 12.9583 ± 0.0004 Å
• α: 90°
• β: 100.269 ± 0.002°
• γ: 90°
• Cell volume: 2356.14 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No